==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=7-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 21-NOV-07 3BFF . COMPND 2 MOLECULE: CLASS A BETA-LACTAMASE SED1; . SOURCE 2 ORGANISM_SCIENTIFIC: CITROBACTER SEDLAKII; . AUTHOR L.PERNOT,S.PETRELLA,W.SOUGAKOFF . 1048 4 4 4 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 41947.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 763 72.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 2 0.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 161 15.4 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 4 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-1), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+0), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+1), SAME NUMBER PER 100 RESIDUES . 37 3.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 144 13.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 340 32.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 20 1.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+5), SAME NUMBER PER 100 RESIDUES . 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 *** HISTOGRAMS OF *** . 0 0 0 0 0 0 0 0 0 7 5 13 3 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 0 4 1 3 5 0 3 4 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 7 1 0 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 LADDERS PER SHEET . # RESIDUE AA STRUCTURE BP1 BP2 ACC N-H-->O O-->H-N N-H-->O O-->H-N TCO KAPPA ALPHA PHI PSI X-CA Y-CA Z-CA 1 26 A V > 0 0 134 0, 0.0 4,-1.8 0, 0.0 3,-0.3 0.000 360.0 360.0 360.0 -51.1 -13.7 10.7 43.3 2 27 A Q H > + 0 0 161 1,-0.3 4,-1.9 2,-0.2 5,-0.1 0.649 360.0 60.9 -72.9 -11.7 -17.3 10.8 42.0 3 28 A Q H > S+ 0 0 148 2,-0.2 4,-2.2 1,-0.2 -1,-0.3 0.800 101.5 52.0 -78.9 -31.7 -16.3 14.2 40.8 4 29 A V H > S+ 0 0 28 -3,-0.3 4,-2.3 2,-0.2 -2,-0.2 0.916 109.9 48.6 -67.7 -43.2 -13.6 12.4 38.8 5 30 A Q H X S+ 0 0 68 -4,-1.8 4,-2.5 1,-0.2 -2,-0.2 0.905 111.1 49.6 -62.8 -43.1 -16.4 10.2 37.3 6 31 A K H X S+ 0 0 159 -4,-1.9 4,-2.2 1,-0.2 -1,-0.2 0.898 111.4 49.5 -63.9 -39.7 -18.5 13.3 36.5 7 32 A K H X S+ 0 0 117 -4,-2.2 4,-2.2 2,-0.2 -2,-0.2 0.884 112.2 46.7 -67.3 -39.2 -15.6 15.0 34.8 8 33 A L H X S+ 0 0 0 -4,-2.3 4,-2.5 2,-0.2 -2,-0.2 0.912 111.9 51.8 -68.0 -41.1 -14.8 11.9 32.7 9 34 A A H X S+ 0 0 41 -4,-2.5 4,-2.2 1,-0.2 -2,-0.2 0.895 112.3 45.5 -60.9 -41.7 -18.4 11.5 31.8 10 35 A A H X S+ 0 0 39 -4,-2.2 4,-2.5 2,-0.2 -1,-0.2 0.868 110.0 55.1 -70.1 -37.3 -18.6 15.2 30.7 11 36 A L H X S+ 0 0 28 -4,-2.2 4,-1.5 2,-0.2 -2,-0.2 0.936 110.6 45.0 -60.5 -47.5 -15.3 14.8 28.8 12 37 A E H X>S+ 0 0 15 -4,-2.5 4,-1.4 2,-0.2 5,-0.8 0.943 112.4 51.0 -62.2 -48.7 -16.7 11.9 26.8 13 38 A K H ><5S+ 0 0 179 -4,-2.2 3,-0.5 1,-0.2 -2,-0.2 0.928 112.7 45.7 -55.6 -47.6 -20.0 13.6 26.1 14 39 A Q H 3<5S+ 0 0 170 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.758 108.9 57.6 -68.3 -24.9 -18.3 16.8 24.9 15 40 A S H 3<5S- 0 0 14 -4,-1.5 -1,-0.2 -3,-0.3 -2,-0.2 0.750 97.1-137.3 -77.8 -25.7 -15.9 14.7 22.7 16 41 A G T <<5S+ 0 0 52 -4,-1.4 2,-0.1 -3,-0.5 -3,-0.1 0.551 71.8 85.5 79.8 6.3 -18.7 13.0 20.8 17 42 A G S >> -AB 231 30A 20 5,-2.5 4,-2.1 -2,-0.5 3,-1.1 -0.871 0.8-162.2 -97.8 108.5 -2.5 3.4 41.7 26 51 A T T 345S+ 0 0 23 204,-1.9 -1,-0.1 -2,-0.8 205,-0.1 0.535 80.4 78.6 -69.3 -4.6 0.2 1.0 42.9 27 52 A A T 345S- 0 0 68 202,-0.2 -1,-0.2 203,-0.2 204,-0.1 0.902 126.3 -7.6 -69.2 -39.2 0.4 2.9 46.2 28 53 A D T <45S- 0 0 108 -3,-1.1 -2,-0.2 2,-0.1 -1,-0.1 0.241 94.9-110.7-139.9 8.9 -2.8 1.2 47.5 29 54 A N T <5 + 0 0 90 -4,-2.1 -3,-0.2 1,-0.2 2,-0.0 0.645 65.6 152.9 66.2 15.6 -4.0 -0.7 44.4 30 55 A S E < -B 25 0A 50 -5,-0.6 -5,-2.5 -6,-0.1 2,-0.3 -0.304 28.8-149.8 -70.6 161.9 -7.0 1.6 44.1 31 56 A Q E -B 24 0A 88 -7,-0.2 2,-0.5 -3,-0.1 -7,-0.2 -0.977 19.8-153.6-139.7 151.6 -8.5 2.1 40.6 32 57 A V E -B 23 0A 22 -9,-1.8 -9,-2.2 -2,-0.3 2,-0.4 -0.987 29.7-173.7-121.3 114.7 -10.3 4.7 38.6 33 59 A L E +B 22 0A 58 -2,-0.5 2,-0.3 -11,-0.2 -11,-0.2 -0.922 21.2 169.8-120.7 139.9 -12.5 3.0 35.9 34 60 A Y E S-B 21 0A 29 -13,-2.4 -13,-2.8 -2,-0.4 4,-0.1 -0.903 87.3 -24.7-145.3 110.2 -14.6 4.3 33.0 35 61 A R S > S+ 0 0 100 -2,-0.3 3,-1.3 -15,-0.2 123,-0.1 0.836 90.6 157.0 51.9 33.1 -15.9 1.8 30.5 36 62 A A T 3 + 0 0 5 1,-0.3 122,-2.2 -15,-0.2 123,-0.5 0.659 64.5 46.6 -63.8 -21.1 -12.9 -0.2 31.8 37 63 A D T 3 S+ 0 0 128 119,-0.1 -1,-0.3 120,-0.1 2,-0.2 0.406 90.9 103.5-102.8 1.4 -14.3 -3.6 30.9 38 64 A E S < S- 0 0 66 -3,-1.3 2,-0.3 1,-0.1 120,-0.1 -0.529 75.5-112.1 -82.0 150.3 -15.4 -2.6 27.3 39 65 A R + 0 0 72 -2,-0.2 2,-0.3 117,-0.2 117,-0.2 -0.650 35.4 178.0 -86.6 138.1 -13.4 -3.6 24.3 40 66 A F E -E 155 0B 1 115,-2.6 115,-1.6 -2,-0.3 2,-0.2 -0.972 39.6 -99.0-134.6 148.7 -11.5 -1.0 22.2 41 67 A A E -E 154 0B 15 -2,-0.3 113,-0.3 113,-0.2 112,-0.1 -0.518 30.5-157.0 -66.8 130.9 -9.2 -1.5 19.2 42 68 A M > + 0 0 1 111,-2.1 3,-1.8 -2,-0.2 -1,-0.2 0.857 22.8 171.5 -78.4 -38.0 -5.7 -1.4 20.5 43 69 A a G > S- 0 0 1 110,-0.6 3,-2.1 100,-0.5 4,-0.2 -0.346 72.4 -4.5 56.5-137.1 -4.0 -0.4 17.3 44 70 A S G > S+ 0 0 11 1,-0.3 3,-1.8 2,-0.2 -1,-0.3 0.642 122.2 76.8 -62.0 -13.5 -0.3 0.4 17.9 45 71 A T G X> S+ 0 0 0 -3,-1.8 3,-1.2 1,-0.3 4,-0.5 0.716 80.8 72.4 -69.0 -12.3 -0.7 -0.0 21.7 46 72 A S H <> S+ 0 0 0 -3,-2.1 4,-1.7 1,-0.2 -1,-0.3 0.646 77.7 78.3 -72.5 -14.1 -0.6 -3.8 20.9 47 73 A K H <> S+ 0 0 0 -3,-1.8 4,-2.7 1,-0.2 -1,-0.2 0.740 84.0 62.6 -67.3 -22.0 3.1 -3.4 20.1 48 74 A V H <> S+ 0 0 0 -3,-1.2 4,-2.6 -4,-0.2 -1,-0.2 0.965 105.6 42.6 -68.1 -52.0 3.8 -3.4 23.9 49 75 A M H X S+ 0 0 0 -4,-0.5 4,-1.7 1,-0.2 -2,-0.2 0.883 116.4 51.6 -60.5 -36.8 2.5 -7.0 24.4 50 76 A T H X S+ 0 0 0 -4,-1.7 4,-1.4 2,-0.2 -2,-0.2 0.929 110.8 44.8 -66.3 -47.7 4.3 -8.0 21.2 51 77 A A H X S+ 0 0 0 -4,-2.7 4,-2.3 1,-0.2 -2,-0.2 0.887 111.5 55.6 -63.9 -37.4 7.7 -6.5 22.2 52 78 A A H X S+ 0 0 0 -4,-2.6 4,-2.7 1,-0.2 -1,-0.2 0.856 101.9 56.1 -63.4 -36.3 7.2 -8.1 25.6 53 79 A A H X S+ 0 0 8 -4,-1.7 4,-1.6 2,-0.2 -1,-0.2 0.901 108.4 47.9 -63.5 -39.6 6.7 -11.5 24.1 54 80 A V H X S+ 0 0 0 -4,-1.4 4,-1.6 2,-0.2 -2,-0.2 0.928 110.6 51.4 -65.6 -44.7 10.1 -11.2 22.3 55 81 A L H X S+ 0 0 0 -4,-2.3 4,-0.6 1,-0.2 3,-0.2 0.912 104.5 57.6 -58.1 -43.4 11.7 -10.1 25.6 56 82 A K H >< S+ 0 0 68 -4,-2.7 3,-1.5 1,-0.2 4,-0.4 0.917 103.7 52.9 -54.3 -44.5 10.2 -13.1 27.3 57 83 A Q H >X S+ 0 0 59 -4,-1.6 4,-1.9 1,-0.3 3,-1.8 0.886 99.6 62.5 -58.6 -40.1 12.0 -15.3 24.8 58 84 A S H 3< S+ 0 0 19 -4,-1.6 -1,-0.3 1,-0.3 5,-0.2 0.646 89.5 71.3 -61.7 -14.4 15.3 -13.6 25.6 59 85 A E T << S+ 0 0 58 -3,-1.5 -1,-0.3 -4,-0.6 -2,-0.2 0.797 117.0 18.5 -72.1 -27.1 15.0 -14.9 29.2 60 86 A T T <4 S+ 0 0 115 -3,-1.8 2,-0.6 -4,-0.4 -2,-0.2 0.489 118.7 67.1-119.8 -9.9 15.7 -18.5 28.0 61 87 A H S >< S- 0 0 107 -4,-1.9 3,-1.7 -5,-0.1 -1,-0.2 -0.853 83.6-135.1-117.6 94.3 17.4 -17.8 24.6 62 88 A D T 3 S- 0 0 167 -2,-0.6 -3,-0.1 1,-0.3 -4,-0.0 -0.138 80.6 -0.1 -50.1 133.1 20.7 -16.1 25.2 63 89 A G T > S+ 0 0 27 -5,-0.2 3,-1.9 1,-0.1 4,-0.4 0.583 80.5 138.8 63.5 14.9 21.5 -13.2 22.9 64 90 A I G X + 0 0 15 -3,-1.7 3,-1.7 1,-0.3 29,-0.4 0.853 66.3 63.8 -58.3 -33.9 18.2 -13.4 20.9 65 91 A L G 3 S+ 0 0 23 1,-0.3 29,-2.0 28,-0.1 30,-0.3 0.633 100.5 52.3 -66.1 -13.2 18.0 -9.6 21.0 66 92 A Q G < S+ 0 0 120 -3,-1.9 -1,-0.3 27,-0.2 -2,-0.2 0.453 82.5 117.6 -99.4 -4.2 21.1 -9.4 18.9 67 93 A Q < - 0 0 119 -3,-1.7 26,-1.7 -4,-0.4 2,-0.2 -0.395 62.4-128.9 -63.9 139.4 19.7 -11.8 16.3 68 94 A K E -F 92 0C 133 24,-0.2 2,-0.4 25,-0.1 24,-0.2 -0.635 21.0-169.6 -97.3 151.7 19.4 -10.1 12.9 69 95 A M E -F 91 0C 41 22,-1.9 22,-2.1 -2,-0.2 2,-0.3 -0.993 26.1-118.7-135.5 139.0 16.5 -9.9 10.4 70 96 A T E -F 90 0C 77 -2,-0.4 2,-0.5 20,-0.2 20,-0.2 -0.619 19.4-150.2 -84.6 135.9 16.7 -8.6 6.9 71 97 A I - 0 0 0 18,-3.2 17,-2.6 15,-0.4 18,-0.5 -0.901 17.7-178.3-106.2 127.4 14.8 -5.5 5.8 72 98 A K >> - 0 0 97 -2,-0.5 3,-3.2 15,-0.2 4,-0.9 -0.935 42.4-113.8-127.0 150.8 13.6 -5.3 2.1 73 99 A K T 34 S+ 0 0 142 -2,-0.3 3,-0.4 1,-0.3 -1,-0.1 0.787 118.5 61.9 -47.5 -29.3 11.7 -2.7 0.2 74 100 A A T 34 S+ 0 0 95 1,-0.2 -1,-0.3 -3,-0.0 -3,-0.0 0.710 96.3 57.5 -72.1 -22.2 9.0 -5.3 -0.1 75 101 A D T <4 S+ 0 0 53 -3,-3.2 -1,-0.2 8,-0.1 -2,-0.2 0.741 82.2 110.8 -79.9 -24.7 8.6 -5.4 3.7 76 102 A L < - 0 0 45 -4,-0.9 2,-0.1 -3,-0.4 4,-0.1 -0.133 45.4-180.0 -53.0 144.4 7.8 -1.7 3.9 77 103 A T - 0 0 38 64,-0.0 3,-0.2 2,-0.0 -1,-0.1 -0.162 50.5 -61.9-121.1-144.6 4.2 -0.7 4.8 78 104 A N S S+ 0 0 108 1,-0.2 2,-0.2 -2,-0.1 -2,-0.1 0.465 125.2 36.0 -89.5 -3.1 2.3 2.5 5.2 79 105 A W + 0 0 131 1,-0.0 27,-2.1 2,-0.0 28,-0.8 -0.757 59.3 147.5-153.9 101.3 4.5 3.7 8.1 80 106 A N > + 0 0 16 -2,-0.2 4,-1.7 -3,-0.2 5,-0.2 -0.367 6.2 155.3-134.0 57.7 8.3 2.9 8.2 81 107 A P T 4 S+ 0 0 25 0, 0.0 -1,-0.1 0, 0.0 23,-0.1 0.813 86.4 18.5 -53.6 -35.0 10.0 5.8 10.0 82 108 A V T >4 S+ 0 0 22 -3,-0.1 3,-1.9 2,-0.1 4,-0.2 0.841 121.3 55.8-103.8 -49.0 13.0 3.7 11.0 83 109 A T G >4 S+ 0 0 0 1,-0.3 3,-2.5 2,-0.2 4,-0.2 0.801 94.7 67.4 -57.4 -33.5 13.0 0.6 8.8 84 110 A E G 3< S+ 0 0 111 -4,-1.7 3,-0.5 1,-0.3 -1,-0.3 0.684 95.3 60.7 -62.9 -13.4 13.0 2.6 5.5 85 111 A K G < S+ 0 0 99 -3,-1.9 -1,-0.3 1,-0.2 -2,-0.2 0.551 105.4 47.5 -87.6 -9.0 16.5 3.6 6.6 86 112 A Y S X S+ 0 0 21 -3,-2.5 3,-2.6 -4,-0.2 -15,-0.4 0.155 72.8 147.5-117.2 16.8 17.6 -0.1 6.6 87 113 A V T 3 S+ 0 0 54 -3,-0.5 -15,-0.2 1,-0.3 3,-0.1 -0.316 78.6 14.0 -56.1 131.1 16.2 -1.2 3.2 88 114 A G T 3 S+ 0 0 28 -17,-2.6 -1,-0.3 1,-0.3 2,-0.2 0.521 121.6 80.4 80.2 4.8 18.6 -3.9 1.9 89 115 A N S < S- 0 0 61 -3,-2.6 -18,-3.2 -18,-0.5 -1,-0.3 -0.618 78.3 -98.1-128.3-172.1 20.3 -4.2 5.3 90 116 A T E -F 70 0C 54 -20,-0.2 2,-0.3 -2,-0.2 -20,-0.2 -0.769 20.1-164.4-115.3 160.0 19.7 -5.9 8.6 91 117 A M E -F 69 0C 0 -22,-2.1 -22,-1.9 -2,-0.3 2,-0.1 -0.990 23.5-122.6-138.4 140.2 18.3 -4.8 12.0 92 118 A T E > -F 68 0C 21 -2,-0.3 4,-2.7 -24,-0.2 -24,-0.2 -0.447 29.5-110.7 -79.8 160.0 18.6 -6.7 15.3 93 119 A L H > S+ 0 0 1 -26,-1.7 4,-2.4 -29,-0.4 -27,-0.2 0.831 121.3 55.0 -59.5 -30.9 15.5 -7.7 17.2 94 120 A A H > S+ 0 0 17 -29,-2.0 4,-2.5 2,-0.2 -1,-0.2 0.920 109.4 45.4 -67.6 -44.0 16.4 -5.1 19.8 95 121 A E H > S+ 0 0 52 -30,-0.3 4,-2.6 2,-0.2 -2,-0.2 0.893 113.6 50.5 -65.9 -38.9 16.5 -2.4 17.2 96 122 A L H X S+ 0 0 0 -4,-2.7 4,-2.2 2,-0.2 -2,-0.2 0.894 111.6 47.5 -65.9 -39.8 13.3 -3.7 15.7 97 123 A S H X S+ 0 0 0 -4,-2.4 4,-2.6 -5,-0.2 5,-0.2 0.914 112.6 49.3 -67.4 -41.6 11.6 -3.6 19.1 98 124 A A H X S+ 0 0 14 -4,-2.5 4,-3.1 2,-0.2 5,-0.4 0.916 112.6 47.0 -62.9 -44.3 12.9 -0.1 19.8 99 125 A A H X S+ 0 0 3 -4,-2.6 6,-1.9 1,-0.2 4,-1.6 0.887 112.9 50.3 -64.1 -40.5 11.7 1.2 16.4 100 126 A T H < S+ 0 0 0 -4,-2.2 4,-0.4 4,-0.3 -2,-0.2 0.920 119.7 35.1 -63.4 -46.4 8.3 -0.5 17.0 101 127 A L H < S+ 0 0 2 -4,-2.6 108,-0.2 -5,-0.1 -2,-0.2 0.873 124.9 36.3 -79.9 -38.8 7.9 1.0 20.5 102 128 A Q H < S+ 0 0 5 -4,-3.1 87,-1.8 -5,-0.2 -3,-0.2 0.690 134.8 19.4 -93.0 -19.3 9.5 4.4 20.1 103 129 A Y S < S- 0 0 87 -4,-1.6 -3,-0.2 -5,-0.4 3,-0.2 0.330 97.4-124.3-127.1 0.4 8.5 5.4 16.6 104 130 A S - 0 0 10 -4,-0.4 2,-0.3 -5,-0.3 -4,-0.3 0.861 38.3-170.7 55.6 41.1 5.6 3.0 16.1 105 131 A D > - 0 0 0 -6,-1.9 4,-1.6 1,-0.1 -1,-0.2 -0.472 15.2-158.7 -66.3 122.3 7.2 1.5 13.0 106 132 A N H > S+ 0 0 7 -27,-2.1 4,-2.2 -2,-0.3 34,-0.2 0.830 90.6 51.2 -71.1 -37.5 4.8 -0.8 11.3 107 133 A T H > S+ 0 0 1 -28,-0.8 4,-1.9 2,-0.2 -1,-0.2 0.874 109.2 52.4 -68.8 -36.0 7.4 -2.8 9.3 108 134 A A H > S+ 0 0 0 2,-0.2 4,-2.0 1,-0.2 -2,-0.2 0.919 108.1 51.7 -64.1 -43.1 9.3 -3.3 12.5 109 135 A M H X S+ 0 0 0 -4,-1.6 4,-2.5 1,-0.2 -2,-0.2 0.934 109.0 49.7 -58.4 -47.9 6.1 -4.7 14.1 110 136 A N H X S+ 0 0 32 -4,-2.2 4,-2.5 1,-0.2 -1,-0.2 0.835 107.7 54.0 -62.1 -33.8 5.6 -7.1 11.3 111 137 A K H X S+ 0 0 28 -4,-1.9 4,-2.3 2,-0.2 -1,-0.2 0.905 109.8 47.8 -66.8 -39.9 9.2 -8.3 11.6 112 138 A L H X S+ 0 0 0 -4,-2.0 4,-2.4 2,-0.2 -2,-0.2 0.912 112.0 49.7 -65.8 -41.5 8.6 -9.1 15.2 113 139 A L H X>S+ 0 0 6 -4,-2.5 5,-2.7 2,-0.2 4,-0.9 0.908 110.6 49.6 -62.9 -42.3 5.3 -10.9 14.4 114 140 A A H ><5S+ 0 0 70 -4,-2.5 3,-0.7 1,-0.2 -1,-0.2 0.919 110.8 50.1 -62.5 -43.9 7.1 -12.9 11.8 115 141 A H H 3<5S+ 0 0 65 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.917 112.0 47.9 -59.8 -44.3 9.8 -13.8 14.2 116 142 A L H 3<5S- 0 0 16 -4,-2.4 -1,-0.2 -5,-0.1 -2,-0.2 0.579 119.4-108.1 -74.8 -12.3 7.2 -14.9 16.8 117 143 A G T <<5S- 0 0 59 -4,-0.9 -3,-0.2 -3,-0.7 3,-0.2 0.535 72.4 -49.6 96.8 6.5 5.2 -17.0 14.4 118 144 A G S >>> S+ 0 0 26 0, 0.0 4,-1.9 0, 0.0 3,-1.5 0.852 122.4 67.3 -54.6 -40.1 -0.3 -12.6 16.1 120 146 A G H 3> S+ 0 0 49 1,-0.3 4,-2.0 2,-0.2 -2,-0.1 0.793 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4,-2.5 -24,-0.2 -24,-0.2 -0.371 31.5-107.5 -78.1 164.7 73.9 16.0 -10.1 882 119 D L H > S+ 0 0 0 -26,-1.7 4,-2.2 -29,-0.4 -27,-0.2 0.834 122.7 54.9 -61.4 -31.5 73.3 16.8 -6.4 883 120 D A H > S+ 0 0 17 -29,-2.4 4,-2.3 -27,-0.2 -1,-0.2 0.917 109.7 45.4 -66.8 -43.6 70.5 14.2 -6.4 884 121 D E H > S+ 0 0 85 -30,-0.3 4,-2.1 2,-0.2 -2,-0.2 0.867 113.4 49.8 -68.1 -37.2 72.9 11.5 -7.7 885 122 D L H X S+ 0 0 0 -4,-2.5 4,-2.4 2,-0.2 -2,-0.2 0.879 111.0 50.5 -68.9 -36.3 75.6 12.6 -5.2 886 123 D S H X S+ 0 0 0 -4,-2.2 4,-2.7 -5,-0.2 5,-0.2 0.918 110.8 47.4 -66.8 -44.1 73.0 12.5 -2.4 887 124 D A H X S+ 0 0 20 -4,-2.3 4,-2.9 2,-0.2 5,-0.4 0.898 113.6 48.4 -63.8 -41.1 71.9 9.0 -3.3 888 125 D A H X S+ 0 0 4 -4,-2.1 6,-1.7 2,-0.2 4,-1.7 0.907 112.7 48.9 -65.3 -41.9 75.5 7.8 -3.5 889 126 D T H X S+ 0 0 0 -4,-2.4 4,-0.5 4,-0.2 -2,-0.2 0.931 120.4 35.4 -63.1 -47.9 76.3 9.4 -0.2 890 127 D L H < S+ 0 0 1 -4,-2.7 108,-0.2 2,-0.1 -2,-0.2 0.863 124.1 38.3 -77.1 -38.8 73.3 7.8 1.6 891 128 D Q H < S+ 0 0 35 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